#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm6 n TYR 2 N 0.00 0.00 -3.76 3.17 4.01 -1.26 -5.00 117.16 114.32 1pm6 n TYR 2 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 1pm6 n TYR 2 Cb 0.00 -0.29 -0.15 0.00 -0.31 0.00 0.00 39.34 38.59 1pm6 n TYR 2 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1pm6 s LEU 3 N -3.24 0.82 0.63 7.72 2.96 0.45 -4.64 118.68 123.38 1pm6 s LEU 3 Ca 0.00 0.25 -0.18 0.00 -0.22 0.00 0.00 54.13 53.98 1pm6 s LEU 3 Cb 0.00 0.28 -0.02 0.00 0.50 0.00 0.00 46.19 46.96 1pm6 s LEU 3 CO 0.00 -0.14 1.23 -0.89 -1.32 0.00 0.00 176.35 175.23 1pm6 s THR 4 N 1.11 2.43 0.17 3.68 2.01 -1.26 -0.56 115.64 123.22 1pm6 s THR 4 Ca -0.09 0.26 -0.14 0.00 0.31 0.00 0.00 61.69 62.02 1pm6 s THR 4 Cb -0.11 -3.04 0.08 0.00 0.01 0.00 0.00 72.50 69.44 1pm6 s THR 4 CO -0.05 -0.07 1.72 0.25 -0.69 0.00 0.00 174.62 175.78 1pm6 h LEU 5 N 0.56 -0.01 -0.96 4.42 6.46 -1.88 0.11 115.31 124.01 1pm6 h LEU 5 Ca -0.50 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.31 1pm6 h LEU 5 Cb 1.31 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 41.31 1pm6 h LEU 5 CO 0.54 0.03 0.37 -0.61 -0.62 0.00 0.00 178.44 178.14 1pm6 h GLN 6 N 0.21 1.11 -0.54 1.25 5.75 -1.93 -1.52 115.11 119.44 1pm6 h GLN 6 Ca 0.22 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.48 1pm6 h GLN 6 Cb 0.27 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 1pm6 h GLN 6 CO -0.29 0.86 0.06 0.93 -2.65 0.00 0.00 178.83 177.74 1pm6 h GLU 7 N 1.10 0.92 -0.15 1.69 3.07 -1.80 -0.88 114.58 118.53 1pm6 h GLU 7 Ca 0.27 -0.26 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1pm6 h GLU 7 Cb 0.12 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 1pm6 h GLU 7 CO -0.03 0.90 -0.01 2.35 -1.40 0.00 0.00 179.01 180.82 1pm6 h TRP 8 N 0.80 -0.02 -0.83 4.33 7.01 -0.79 -1.81 115.95 124.65 1pm6 h TRP 8 Ca 0.16 0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.29 1pm6 h TRP 8 Cb 0.45 0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 27.46 1pm6 h TRP 8 CO 0.03 -0.03 0.45 -0.97 -2.79 0.00 0.00 178.44 175.13 1pm6 h ASN 9 N 0.04 0.60 0.27 2.65 -1.24 -1.28 -2.88 115.58 113.74 1pm6 h ASN 9 Ca 0.07 0.07 -0.07 0.00 0.71 0.00 0.00 56.30 57.08 1pm6 h ASN 9 Cb 0.09 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1pm6 h ASN 9 CO -0.13 0.31 -0.30 0.00 -1.29 0.00 0.00 177.43 176.02 1pm6 h ALA 10 N 1.50 1.44 -0.73 1.57 0.00 -1.02 -3.19 119.26 118.83 1pm6 h ALA 10 Ca 0.42 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1pm6 h ALA 10 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1pm6 h ALA 10 CO -0.30 0.41 0.28 0.00 0.00 0.00 0.00 179.25 179.65 1pm6 h ARG 11 N 0.05 1.10 -6.93 0.00 3.08 -1.12 -3.43 114.38 107.13 1pm6 h ARG 11 Ca 0.01 -0.21 -0.55 0.00 0.07 0.00 0.00 59.98 59.30 1pm6 h ARG 11 Cb 0.57 -0.17 0.19 0.00 0.08 0.00 0.00 29.97 30.63 1pm6 h ARG 11 CO 0.04 0.91 -0.06 1.04 -1.07 0.00 0.00 179.97 180.83 1pm6 n GLN 12 N -4.33 0.23 -1.74 0.04 1.13 -1.13 -4.87 117.38 106.71 1pm6 n GLN 12 Ca 0.06 0.14 -0.28 0.00 -1.94 0.00 0.00 57.00 54.98 1pm6 n GLN 12 Cb 0.19 -2.13 -0.05 0.00 0.11 0.00 0.00 30.24 28.36 1pm6 n GLN 12 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1pm6 s ARG 13 N -3.47 2.12 0.22 -1.09 0.52 -1.26 -4.38 118.95 111.60 1pm6 s ARG 13 Ca 0.69 0.68 0.00 0.00 -0.52 0.00 0.00 55.73 56.58 1pm6 s ARG 13 Cb -0.31 -4.69 0.00 0.00 0.52 0.00 0.00 34.95 30.47 1pm6 s ARG 13 CO 0.55 -3.56 0.00 0.54 0.02 0.00 0.00 175.30 172.85 1pm6 n ARG 14 N 8.96 -4.02 -2.30 3.54 1.74 -1.26 -4.89 116.66 118.42 1pm6 n ARG 14 Ca 0.37 2.94 -0.43 0.00 -0.77 0.00 0.00 57.85 59.96 1pm6 n ARG 14 Cb 0.49 -3.12 -0.02 0.00 -1.02 0.00 0.00 32.46 28.79 1pm6 n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1pm6 s PRO 15 N -1.92 3.53 -0.14 5.56 0.04 -1.25 -4.93 135.00 135.90 1pm6 s PRO 15 Ca 0.00 0.99 -0.21 0.00 0.04 0.00 0.00 61.00 61.82 1pm6 s PRO 15 Cb 0.00 -4.05 -0.19 0.00 0.04 0.00 0.00 34.50 30.30 1pm6 s PRO 15 CO 0.00 -1.62 0.52 0.07 0.04 0.00 0.00 177.00 176.01 1pm6 h ARG 16 N 11.03 0.00 -1.58 4.56 0.11 -1.90 -3.50 114.38 123.10 1pm6 h ARG 16 Ca -0.28 0.00 0.07 0.00 0.10 0.00 0.00 59.98 59.87 1pm6 h ARG 16 Cb 1.11 0.00 -0.24 0.00 1.11 0.00 0.00 29.97 31.95 1pm6 h ARG 16 CO 1.08 0.74 0.51 -1.12 0.10 0.00 0.00 179.97 181.28 1pm6 s SER 17 N -6.10 -0.40 0.32 0.08 0.01 -1.26 -5.03 113.70 101.33 1pm6 s SER 17 Ca -0.15 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1pm6 s SER 17 Cb -0.01 0.48 0.54 0.00 0.21 0.00 0.00 66.02 67.23 1pm6 s SER 17 CO 0.51 -0.29 1.97 -0.07 0.41 0.00 0.00 173.24 175.77 1pm6 h LEU 18 N 3.07 0.81 -1.00 2.44 4.07 -1.97 -2.72 115.31 120.01 1pm6 h LEU 18 Ca -0.22 -0.04 0.10 0.00 0.08 0.00 0.00 57.88 57.80 1pm6 h LEU 18 Cb 1.17 -0.20 -0.08 0.00 1.08 0.00 0.00 40.66 42.62 1pm6 h LEU 18 CO 0.25 0.61 0.63 -0.33 -1.08 0.00 0.00 178.44 178.53 1pm6 h GLU 19 N 0.94 1.02 -0.18 1.13 4.39 -1.98 -0.81 114.58 119.09 1pm6 h GLU 19 Ca 0.25 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1pm6 h GLU 19 Cb -0.05 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.36 1pm6 h GLU 19 CO -0.05 0.68 0.06 1.79 -1.16 0.00 0.00 179.01 180.33 1pm6 h THR 20 N 1.05 1.18 -0.70 1.13 1.35 -1.89 -0.47 112.91 114.57 1pm6 h THR 20 Ca 0.47 -0.55 0.04 0.00 -0.55 0.00 0.00 66.41 65.82 1pm6 h THR 20 Cb 0.36 1.21 -0.05 0.00 -1.73 0.00 0.00 68.15 67.95 1pm6 h THR 20 CO -0.23 0.17 0.43 0.58 -0.25 0.00 0.00 175.52 176.22 1pm6 h VAL 21 N 0.11 1.06 -0.78 6.82 2.07 -1.48 -1.14 116.25 122.91 1pm6 h VAL 21 Ca 0.06 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1pm6 h VAL 21 Cb 0.21 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 1pm6 h VAL 21 CO -0.00 0.15 0.41 -0.09 0.02 0.00 0.00 177.57 178.06 1pm6 h ARG 22 N 0.82 1.10 -0.90 1.57 1.12 -1.13 -1.76 114.38 115.18 1pm6 h ARG 22 Ca 0.29 -0.14 0.10 0.00 -1.11 0.00 0.00 59.98 59.12 1pm6 h ARG 22 Cb 0.07 -0.21 -0.08 0.00 -0.01 0.00 0.00 29.97 29.75 1pm6 h ARG 22 CO -0.13 0.82 0.55 -0.09 -3.11 0.00 0.00 179.97 178.01 1pm6 h ARG 23 N 1.08 0.88 -0.57 0.20 9.65 -0.85 -0.70 114.38 124.08 1pm6 h ARG 23 Ca 0.27 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.08 1pm6 h ARG 23 Cb 0.06 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.41 1pm6 h ARG 23 CO -0.04 0.59 0.28 -1.49 2.80 0.00 0.00 179.97 182.11 1pm6 h TRP 24 N 0.91 0.78 -0.17 2.20 6.55 -0.97 -1.35 115.95 123.89 1pm6 h TRP 24 Ca 0.43 -0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.25 1pm6 h TRP 24 Cb 0.37 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.41 1pm6 h TRP 24 CO -0.03 0.57 0.07 0.28 -1.05 0.00 0.00 178.44 178.28 1pm6 h VAL 25 N 0.79 1.15 -0.89 1.49 2.07 -1.02 -3.22 116.25 116.63 1pm6 h VAL 25 Ca 0.20 -0.44 0.13 0.00 0.82 0.00 0.00 66.70 67.40 1pm6 h VAL 25 Cb 0.07 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1pm6 h VAL 25 CO -0.03 0.14 0.57 0.03 0.02 0.00 0.00 177.57 178.31 1pm6 h ARG 26 N 0.14 0.73 0.00 1.57 3.08 -0.94 -1.24 114.38 117.72 1pm6 h ARG 26 Ca 0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1pm6 h ARG 26 Cb 0.16 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1pm6 h ARG 26 CO -0.01 0.48 0.00 0.39 -1.07 0.00 0.00 179.97 179.77 1pm6 n GLU 27 N -4.56 0.04 -3.29 0.04 1.02 -0.53 -4.96 120.64 108.40 1pm6 n GLU 27 Ca 0.17 0.44 -0.15 0.00 -0.02 0.00 0.00 57.16 57.59 1pm6 n GLU 27 Cb 0.42 -1.60 0.08 0.00 -0.02 0.00 0.00 31.44 30.31 1pm6 n GLU 27 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1pm6 n SER 28 N -1.68 -3.15 0.00 1.62 7.64 -0.47 -5.00 113.62 112.57 1pm6 n SER 28 Ca 0.01 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.29 1pm6 n SER 28 Cb 0.07 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.40 1pm6 n SER 28 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pm6 n ARG 29 N -3.73 2.01 -2.23 1.43 1.74 -1.23 -4.99 116.66 109.65 1pm6 n ARG 29 Ca -0.22 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.43 1pm6 n ARG 29 Cb 0.65 -0.95 -0.02 0.00 -1.02 0.00 0.00 32.46 31.11 1pm6 n ARG 29 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pm6 s ILE 30 N -1.90 3.73 -0.06 0.55 1.01 -1.26 -0.79 121.20 122.48 1pm6 s ILE 30 Ca 0.00 0.73 0.03 0.00 0.00 0.00 0.00 60.65 61.40 1pm6 s ILE 30 Cb 0.00 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.44 1pm6 s ILE 30 CO 0.00 -0.70 -0.13 0.12 0.00 0.00 0.00 174.94 174.24 1pm6 s PHE 31 N 6.11 1.45 0.57 3.97 5.36 -0.05 -3.63 117.98 131.76 1pm6 s PHE 31 Ca 0.67 -0.49 -0.18 0.00 -0.96 0.00 0.00 56.93 55.96 1pm6 s PHE 31 Cb -0.16 -1.04 -0.05 0.00 -0.34 0.00 0.00 43.02 41.43 1pm6 s PHE 31 CO 0.32 -0.24 1.12 -1.25 -1.46 0.00 0.00 175.22 173.71 1pm6 s PRO 32 N 0.49 3.23 0.63 10.12 0.04 -1.26 -2.17 135.00 146.08 1pm6 s PRO 32 Ca -0.11 1.55 -0.16 0.00 0.04 0.00 0.00 61.00 62.32 1pm6 s PRO 32 Cb -0.14 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 1pm6 s PRO 32 CO 0.03 -0.93 1.11 -1.25 0.04 0.00 0.00 177.00 176.00 1pm6 s PRO 33 N -3.49 2.95 0.30 0.56 0.04 -1.24 -4.47 135.00 129.65 1pm6 s PRO 33 Ca 0.71 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1pm6 s PRO 33 Cb -0.23 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 1pm6 s PRO 33 CO 0.30 -1.13 1.13 -1.25 0.04 0.00 0.00 177.00 176.09 1pm6 s PRO 34 N -3.96 4.55 -0.37 0.56 0.04 -1.26 -4.80 135.00 129.76 1pm6 s PRO 34 Ca 0.67 1.84 -0.22 0.00 0.04 0.00 0.00 61.00 63.33 1pm6 s PRO 34 Cb -0.20 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.23 1pm6 s PRO 34 CO 0.39 0.12 0.75 0.54 0.04 0.00 0.00 177.00 178.83 1pm6 s VAL 35 N -1.20 4.76 -0.65 -0.36 0.11 -0.08 -4.78 120.40 118.21 1pm6 s VAL 35 Ca 0.46 0.76 -0.26 0.00 -2.93 0.00 0.00 61.98 60.02 1pm6 s VAL 35 Cb -0.32 -4.19 0.04 0.00 -1.53 0.00 0.00 36.38 30.38 1pm6 s VAL 35 CO 0.42 -0.43 1.11 -0.75 -3.33 0.00 0.00 175.10 172.12 1pm6 s LYS 36 N 3.02 3.27 -1.10 1.54 2.36 -1.26 -0.92 119.74 126.63 1pm6 s LYS 36 Ca 0.29 -0.29 -0.05 0.00 -2.55 0.00 0.00 55.97 53.37 1pm6 s LYS 36 Cb -0.13 -4.13 0.12 0.00 -1.05 0.00 0.00 37.83 32.63 1pm6 s LYS 36 CO 0.17 -1.83 2.44 -3.47 1.55 0.00 0.00 175.35 174.21 1pm6 n ASP 37 N 8.36 7.66 -2.05 1.43 2.03 -0.87 -4.76 116.55 128.36 1pm6 n ASP 37 Ca 0.02 -3.19 -0.11 0.00 0.52 0.00 0.00 54.79 52.02 1pm6 n ASP 37 Cb 0.48 -1.32 -0.02 0.00 -0.72 0.00 0.00 41.12 39.54 1pm6 n ASP 37 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pm6 n GLY 38 N 1.41 0.07 1.11 0.27 0.00 -1.26 -4.49 105.19 102.29 1pm6 n GLY 38 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1pm6 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pm6 n ARG 39 N -2.41 0.00 -4.16 1.61 1.74 -1.26 -5.18 116.66 107.00 1pm6 n ARG 39 Ca -0.13 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.85 1pm6 n ARG 39 Cb 0.52 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.86 1pm6 n ARG 39 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1pm6 s GLU 40 N -0.92 0.94 -0.32 5.56 2.02 -1.26 -5.14 118.70 119.57 1pm6 s GLU 40 Ca 0.00 -1.45 -0.29 0.00 0.02 0.00 0.00 54.97 53.25 1pm6 s GLU 40 Cb 0.00 0.19 0.02 0.00 0.10 0.00 0.00 34.13 34.43 1pm6 s GLU 40 CO 0.00 -0.24 1.12 0.71 0.02 0.00 0.00 175.26 176.86 1pm6 s TYR 41 N -4.00 3.05 -0.59 1.61 2.02 -1.26 -2.04 117.35 116.14 1pm6 s TYR 41 Ca 0.24 1.11 -0.19 0.00 -0.37 0.00 0.00 57.07 57.86 1pm6 s TYR 41 Cb 0.07 -3.77 0.10 0.00 -0.40 0.00 0.00 41.96 37.96 1pm6 s TYR 41 CO 0.02 -0.96 0.69 -0.51 -1.57 0.00 0.00 175.55 173.22 1pm6 s LEU 42 N 3.81 5.40 1.20 -1.29 1.43 -0.10 -2.45 118.68 126.68 1pm6 s LEU 42 Ca 0.47 -1.42 -0.16 0.00 -1.03 0.00 0.00 54.13 51.99 1pm6 s LEU 42 Cb -0.13 -2.31 0.29 0.00 0.03 0.00 0.00 46.19 44.08 1pm6 s LEU 42 CO 0.18 -1.10 1.03 -0.36 0.23 0.00 0.00 176.35 176.33 1pm6 s PHE 43 N 2.65 0.91 0.22 0.29 0.08 0.28 -0.90 117.98 121.51 1pm6 s PHE 43 Ca 0.11 0.86 -0.16 0.00 0.12 0.00 0.00 56.93 57.87 1pm6 s PHE 43 Cb -0.24 -3.15 -0.08 0.00 -0.57 0.00 0.00 43.02 38.98 1pm6 s PHE 43 CO 0.06 -3.96 0.66 -1.58 -0.10 0.00 0.00 175.22 170.30 1pm6 s HIS 44 N -2.62 3.56 0.54 0.36 5.65 -1.26 -0.41 115.29 121.10 1pm6 s HIS 44 Ca 0.68 1.21 0.24 0.00 0.25 0.00 0.00 55.06 57.44 1pm6 s HIS 44 Cb -0.18 -2.49 1.40 0.00 -1.18 0.00 0.00 32.58 30.12 1pm6 s HIS 44 CO 0.60 0.31 2.04 1.05 -0.65 0.00 0.00 174.74 178.08 1pm6 h GLU 45 N 3.13 0.00 -2.01 2.88 -0.00 -1.92 -1.49 114.58 115.17 1pm6 h GLU 45 Ca -0.48 0.00 -0.76 0.00 -0.00 0.00 0.00 59.36 58.12 1pm6 h GLU 45 Cb 1.19 0.00 -0.28 0.00 -0.00 0.00 0.00 28.75 29.66 1pm6 h GLU 45 CO 0.66 0.00 0.94 0.45 -0.00 0.00 0.00 179.01 181.06 1pm6 n SER 46 N -4.34 7.32 -4.59 3.06 2.88 -1.26 -5.01 113.62 111.68 1pm6 n SER 46 Ca 0.06 -3.81 -0.35 0.00 -1.33 0.00 0.00 58.87 53.45 1pm6 n SER 46 Cb 0.48 -1.04 -0.10 0.00 -0.75 0.00 0.00 64.21 62.79 1pm6 n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pm6 s ALA 47 N -4.08 3.30 0.08 -1.46 0.00 -0.56 -4.43 121.76 114.62 1pm6 s ALA 47 Ca 0.50 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.69 1pm6 s ALA 47 Cb 0.40 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1pm6 s ALA 47 CO -0.36 0.12 -0.08 0.14 0.00 0.00 0.00 175.76 175.58 1pm6 s VAL 48 N 0.49 0.75 -0.35 0.00 -7.23 -0.92 -4.86 120.40 108.28 1pm6 s VAL 48 Ca 0.02 -1.61 -0.27 0.00 -1.81 0.00 0.00 61.98 58.30 1pm6 s VAL 48 Cb -0.13 -1.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.47 1pm6 s VAL 48 CO 0.01 -0.63 2.19 -1.59 -0.31 0.00 0.00 175.10 174.77 1pm6 s LYS 49 N -2.88 2.80 0.10 4.82 0.00 -1.26 -0.87 119.74 122.45 1pm6 s LYS 49 Ca 0.04 1.64 -0.31 0.00 0.00 0.00 0.00 55.97 57.34 1pm6 s LYS 49 Cb -0.02 -4.42 -0.08 0.00 0.00 0.00 0.00 37.83 33.32 1pm6 s LYS 49 CO -0.02 -2.49 1.49 0.54 0.00 0.00 0.00 175.35 174.88 1pm6 s VAL 50 N 9.39 3.16 -0.03 1.79 0.11 0.02 -4.92 120.40 129.92 1pm6 s VAL 50 Ca 0.94 0.76 -0.30 0.00 -2.93 0.00 0.00 61.98 60.45 1pm6 s VAL 50 Cb -0.25 -3.48 -0.06 0.00 -1.53 0.00 0.00 36.38 31.05 1pm6 s VAL 50 CO 0.31 0.03 1.70 -0.62 -3.33 0.00 0.00 175.10 173.19 1pm6 s ASP 51 N 1.53 6.63 0.13 3.54 -1.08 -1.26 -4.94 116.67 121.23 1pm6 s ASP 51 Ca 0.68 2.32 -0.28 0.00 -0.52 0.00 0.00 52.55 54.75 1pm6 s ASP 51 Cb -0.38 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.50 1pm6 s ASP 51 CO 0.30 -0.94 1.60 0.25 0.52 0.00 0.00 175.17 176.90 1pm6 h LEU 52 N 10.18 -1.12 -6.11 -1.34 7.12 -2.01 -3.42 115.31 118.61 1pm6 h LEU 52 Ca -0.41 0.15 0.20 0.00 0.13 0.00 0.00 57.88 57.94 1pm6 h LEU 52 Cb 1.19 0.46 -0.22 0.00 -0.53 0.00 0.00 40.66 41.56 1pm6 h LEU 52 CO 0.95 -0.40 0.08 0.20 -0.13 0.00 0.00 178.44 179.14 1pm6 s ASN 53 N -4.87 -0.66 -0.45 1.25 0.01 -1.26 -5.14 114.94 103.83 1pm6 s ASN 53 Ca -0.16 0.51 0.03 0.00 -0.71 0.00 0.00 52.86 52.54 1pm6 s ASN 53 Cb 0.09 1.59 0.16 0.00 0.41 0.00 0.00 41.25 43.51 1pm6 s ASN 53 CO 0.65 -0.12 0.33 -0.60 -1.51 0.00 0.00 177.10 175.85 1pm6 s ARG 54 N 2.82 1.11 -0.02 -0.60 3.52 -1.26 -5.05 118.95 119.47 1pm6 s ARG 54 Ca 0.03 -2.16 -0.05 0.00 -0.13 0.00 0.00 55.73 53.42 1pm6 s ARG 54 Cb -0.10 -1.78 -0.03 0.00 -1.56 0.00 0.00 34.95 31.48 1pm6 s ARG 54 CO -0.14 -1.32 0.37 -1.00 -0.81 0.00 0.00 175.30 172.39 1pm6 h PRO 55 N 5.92 -0.17 -2.48 5.12 0.13 -2.00 -3.48 132.00 135.04 1pm6 h PRO 55 Ca 0.19 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.25 1pm6 h PRO 55 Cb 0.90 0.04 -0.26 0.00 0.13 0.00 0.00 31.00 31.80 1pm6 h PRO 55 CO 0.42 -0.11 -0.30 0.54 -0.23 0.00 0.00 178.00 178.32 1pm6 s VAL 56 N -2.14 -0.42 -0.93 1.56 0.11 -1.26 -5.11 120.40 112.21 1pm6 s VAL 56 Ca -0.03 0.12 -0.17 0.00 -2.93 0.00 0.00 61.98 58.97 1pm6 s VAL 56 Cb 0.00 -0.70 0.16 0.00 -1.53 0.00 0.00 36.38 34.31 1pm6 s VAL 56 CO 0.08 0.05 1.06 0.42 -3.33 0.00 0.00 175.10 173.37 1pm6 s THR 57 N 2.16 5.00 -0.20 5.04 -4.23 -1.26 -4.98 115.64 117.17 1pm6 s THR 57 Ca -0.05 -1.92 -0.30 0.00 -1.18 0.00 0.00 61.69 58.24 1pm6 s THR 57 Cb -0.10 -4.71 0.15 0.00 1.34 0.00 0.00 72.50 69.18 1pm6 s THR 57 CO -0.14 -1.39 1.12 -0.83 -0.54 0.00 0.00 174.62 172.85 1pm6 s GLY 58 N 3.15 -0.15 0.03 3.99 0.00 -1.26 -5.19 107.32 107.89 1pm6 s GLY 58 Ca 0.30 2.28 0.03 0.00 0.00 0.00 0.00 44.72 47.33 1pm6 s GLY 58 CO -0.09 1.04 -0.11 -0.56 0.00 0.00 0.00 173.10 173.38 1pm6 s SER 59 N -1.12 1.22 -0.02 1.64 0.01 -1.26 -5.14 113.70 109.03 1pm6 s SER 59 Ca 0.02 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.56 1pm6 s SER 59 Cb -0.01 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 1pm6 s SER 59 CO -0.02 -0.03 1.27 -0.76 0.41 0.00 0.00 173.24 174.11 1pm6 s LEU 60 N -1.09 4.31 -0.28 2.44 1.02 -1.26 -5.03 118.68 118.79 1pm6 s LEU 60 Ca -0.02 1.95 -0.02 0.00 0.02 0.00 0.00 54.13 56.06 1pm6 s LEU 60 Cb -0.07 -3.56 0.11 0.00 0.02 0.00 0.00 46.19 42.69 1pm6 s LEU 60 CO 0.01 -0.61 0.21 -0.22 0.02 0.00 0.00 176.35 175.76 1pm6 s LEU 61 N 2.08 0.11 0.05 1.79 2.96 -1.26 -5.16 118.68 119.26 1pm6 s LEU 61 Ca 0.59 -0.92 -0.16 0.00 -0.22 0.00 0.00 54.13 53.42 1pm6 s LEU 61 Cb -0.28 0.12 -0.06 0.00 0.50 0.00 0.00 46.19 46.47 1pm6 s LEU 61 CO 0.25 -0.40 0.48 -1.59 -1.32 0.00 0.00 176.35 173.77 1pm6 s LYS 62 N 2.24 4.01 -0.35 1.98 0.00 -1.26 -5.08 119.74 121.29 1pm6 s LYS 62 Ca 0.09 0.52 -0.18 0.00 0.00 0.00 0.00 55.97 56.40 1pm6 s LYS 62 Cb -0.15 -3.16 -0.00 0.00 0.00 0.00 0.00 37.83 34.51 1pm6 s LYS 62 CO -0.32 0.63 0.48 0.50 0.00 0.00 0.00 175.35 176.65 1pm6 s ARG 63 N -1.29 3.58 0.39 1.78 3.00 -1.26 -5.07 118.95 120.09 1pm6 s ARG 63 Ca 0.28 -0.24 -0.27 0.00 -1.00 0.00 0.00 55.73 54.50 1pm6 s ARG 63 Cb -0.17 -3.82 -0.09 0.00 0.00 0.00 0.00 34.95 30.87 1pm6 s ARG 63 CO 0.17 -0.64 1.31 -1.50 0.00 0.00 0.00 175.30 174.64 1pm6 s ILE 64 N 2.31 2.61 -0.08 4.11 1.10 -1.26 -5.06 121.20 124.94 1pm6 s ILE 64 Ca 0.17 0.56 0.04 0.00 -0.51 0.00 0.00 60.65 60.91 1pm6 s ILE 64 Cb -0.16 -3.34 -0.00 0.00 0.15 0.00 0.00 42.46 39.12 1pm6 s ILE 64 CO 0.13 0.09 -0.22 -0.60 -2.11 0.00 0.00 174.94 172.24 1pm6 s ARG 65 N -2.16 2.59 -0.07 3.50 3.52 -1.26 -5.14 118.95 119.94 1pm6 s ARG 65 Ca 0.55 -0.79 -0.06 0.00 -0.13 0.00 0.00 55.73 55.30 1pm6 s ARG 65 Cb -0.39 -2.05 0.02 0.00 -1.56 0.00 0.00 34.95 30.97 1pm6 s ARG 65 CO 0.50 0.21 0.19 0.54 -0.81 0.00 0.00 175.30 175.93 1pm6 s ASN 66 N 0.24 -0.19 -0.03 -2.12 4.22 -1.26 -5.17 114.94 110.62 1pm6 s ASN 66 Ca -0.13 0.38 -0.01 0.00 -2.14 0.00 0.00 52.86 50.96 1pm6 s ASN 66 Cb -0.16 0.38 0.03 0.00 1.28 0.00 0.00 41.25 42.78 1pm6 s ASN 66 CO 0.06 -0.07 0.03 -0.83 -2.04 0.00 0.00 177.10 174.26 1pm6 s GLY 67 N 0.12 0.17 -0.15 0.45 0.00 -1.26 -5.15 107.32 101.50 1pm6 s GLY 67 Ca -0.00 0.23 -0.20 0.00 0.00 0.00 0.00 44.72 44.75 1pm6 s GLY 67 CO 0.00 0.88 0.58 1.25 0.00 0.00 0.00 173.10 175.82 1pm6 s LYS 68 N 1.40 4.29 0.33 2.90 2.36 -1.26 -5.07 119.74 124.70 1pm6 s LYS 68 Ca -0.05 0.60 -0.27 0.00 -2.55 0.00 0.00 55.97 53.70 1pm6 s LYS 68 Cb -0.13 -3.51 -0.09 0.00 -1.05 0.00 0.00 37.83 33.05 1pm6 s LYS 68 CO -0.03 -0.05 1.08 -1.59 1.55 0.00 0.00 175.35 176.31 1pm6 s LYS 69 N 1.27 4.42 0.29 4.03 0.00 -1.26 -5.10 119.74 123.39 1pm6 s LYS 69 Ca 0.29 1.69 0.04 0.00 0.00 0.00 0.00 55.97 57.99 1pm6 s LYS 69 Cb -0.16 -2.90 -0.03 0.00 0.00 0.00 0.00 37.83 34.74 1pm6 s LYS 69 CO 0.12 0.05 0.43 0.00 0.00 0.00 0.00 175.35 175.94 1pm6 s ALA 70 N -1.37 3.93 0.08 0.59 0.00 -1.26 -5.04 121.76 118.69 1pm6 s ALA 70 Ca 0.50 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1pm6 s ALA 70 Cb -0.28 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.03 1pm6 s ALA 70 CO 0.35 0.11 0.00 1.63 0.00 0.00 0.00 175.76 177.86 1pm6 n LYS 71 N -1.55 -0.88 0.00 0.00 4.76 -1.26 -5.36 118.16 113.87 1pm6 n LYS 71 Ca -0.06 0.64 0.13 0.00 -2.87 0.00 0.00 58.31 56.16 1pm6 n LYS 71 Cb 0.57 -0.72 0.80 0.00 -1.84 0.00 0.00 35.03 33.84 1pm6 n LYS 71 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90